(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate

C25H28N4O3 — CID 158455948

IUPAC(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(C)cc2OC)cc1CC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C25H28N4O3/c1-5-28-16-26-22-12-18(8-10-23(22)28)15-32-25(30)14-19-13-21(27-29(19)6-2)20-9-7-17(3)11-24(20)31-4/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyHEOKUSZRDQPOJN-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.54
Rot. Bonds8

About (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate

(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate (PubChem CID 158455948) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
PubChem CID158455948
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(C)cc2OC)cc1CC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C25H28N4O3/c1-5-28-16-26-22-12-18(8-10-23(22)28)15-32-25(30)14-19-13-21(27-29(19)6-2)20-9-7-17(3)11-24(20)31-4/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyHEOKUSZRDQPOJN-UHFFFAOYSA-N
XLogP4.54
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
CID 158918243
[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459734
(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
CID 157263641
1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
CID 134315657
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
CID 159296475
[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459726
(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
CID 161011785
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
CID 158602904
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
CID 89469405

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate (CID 158455948) is (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate is CCn1nc(-c2ccc(C)cc2OC)cc1CC(=O)OCc1ccc2c(c1)ncn2CC.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate?
The InChIKey is HEOKUSZRDQPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-28-16-26-22-12-18(8-10-23(22)28)15-32-25(30)14-19-13-21(27-29(19)6-2)20-9-7-17(3)11-24(20)31-4/h7-13,16H,5-6,14-15H2,1-4H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate?
(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate has a molecular weight of 432.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate is sourced from PubChem (CID 158455948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).